CC(C)c1nc(CCOC2=CCC(C(C)(C)C)CC2)n(C)c1Sc1cc(Cl)cc(Cl)c1
SMILES: CC(C)c1nc(CCOC2=CCC(C(C)(C)C)CC2)n(C)c1Sc1cc(Cl)cc(Cl)c1

Molecular Processing

Molecular formula
C25H34Cl2N2OS
Molecular weight
481.53
Exact mass
480.1769
XLogP
8.29
TPSA
27.05
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
132.42

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→